7SSE

Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70

Summary for 7SSE

Entry DOI	10.2210/pdb7sse/pdb
Descriptor	DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine (3 entities in total)
Functional Keywords	wd-repeat, wdr, dcaf1, sgc, structural genomics, structural genomics consortium, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	71543.32
Authors	Kimani, S.,Owen, J.,Li, A.,Dong, A.,Li, Y.,Hutchinson, A.,Seitova, A.,Shahani, V.M.,Schapira, M.,Arrowsmith, C.H.,Edwards, A.M.,Halabelian, L.,Structural Genomics Consortium (SGC) (deposition date: 2021-11-10, release date: 2021-12-15, Last modification date: 2023-11-22)
Primary citation	Kimani, S.W.,Owen, J.,Green, S.R.,Li, F.,Li, Y.,Dong, A.,Brown, P.J.,Ackloo, S.,Kuter, D.,Yang, C.,MacAskill, M.,MacKinnon, S.S.,Arrowsmith, C.H.,Schapira, M.,Shahani, V.,Halabelian, L. Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J.Chem.Inf.Model., 63:4070-4078, 2023 Cited by PubMed: 37350740 DOI: 10.1021/acs.jcim.3c00082 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.62 Å)

Structure validation